The statistics of the reaction types in the Reaxys test set. The types are determined using NameRXN.
Occurrence | N | Criterion | Reactions | Top-1 exact acc., % | Top-1 partial acc., % |
---|---|---|---|---|---|
Common | 20 | N > 1000 | 67 633 | 17.0 | 73.5 |
Frequent | 67 | 100 < N ≤ 1000 | 23 685 | 16.2 | 65.1 |
Rare | 120 | 10 < N ≤ 100 | 4219 | 13.5 | 60.3 |
Very rare | 232 | 1 < N ≤ 10 | 947 | 14.2 | 53.1 |
Singular | 245 | N = 1 | 245 | 13.5 | 62.4 |